Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 484.6 BDBM68142Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM68142 (2-({3-[2-(diethylamino)ethyl]-4-oxo-3,4-dihydro[1]...) Show SMILES CCN(CC)CCn1c(SCC(=O)Nc2ccc(F)cc2)nc2c3ccccc3sc2c1=O Show InChI InChI=1S/C24H25FN4O2S2/c1-3-28(4-2)13-14-29-23(31)22-21(18-7-5-6-8-19(18)33-22)27-24(29)32-15-20(30)26-17-11-9-16(25)10-12-17/h5-12H,3-4,13-15H2,1-2H3,(H,26,30)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	6.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2PC30VZ
					More data for this Ligand-Target Pair
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM68142 (2-({3-[2-(diethylamino)ethyl]-4-oxo-3,4-dihydro[1]...) Show SMILES CCN(CC)CCn1c(SCC(=O)Nc2ccc(F)cc2)nc2c3ccccc3sc2c1=O Show InChI InChI=1S/C24H25FN4O2S2/c1-3-28(4-2)13-14-29-23(31)22-21(18-7-5-6-8-19(18)33-22)27-24(29)32-15-20(30)26-17-11-9-16(25)10-12-17/h5-12H,3-4,13-15H2,1-2H3,(H,26,30)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	6.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q28C9TQN
					More data for this Ligand-Target Pair
X-box-binding protein 1 (Homo sapiens (Human))	BDBM68142 (2-({3-[2-(diethylamino)ethyl]-4-oxo-3,4-dihydro[1]...) Show SMILES CCN(CC)CCn1c(SCC(=O)Nc2ccc(F)cc2)nc2c3ccccc3sc2c1=O Show InChI InChI=1S/C24H25FN4O2S2/c1-3-28(4-2)13-14-29-23(31)22-21(18-7-5-6-8-19(18)33-22)27-24(29)32-15-20(30)26-17-11-9-16(25)10-12-17/h5-12H,3-4,13-15H2,1-2H3,(H,26,30)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2NK3CGB
					More data for this Ligand-Target Pair